I want to model Na-Ag2O using Quantum Espresso, therefore I seek assistance
in determining the atomic position of the metallic element, sodium(Na), at
the Tetrahedral Interstitial Site (TIS) within the bcc structure of Ag2O.
Could someone provide guidance on how to accurately position the element at
the TIS?
Thank you for your help.

Best regards,
Moses Ntsiful
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to